BMRB Entry 18187
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18187
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Title: Solution structure of the Get5 carboxyl domain from A. fumigatus PubMed: 22262836
Deposition date: 2012-01-08 Original release date: 2012-02-10
Authors: Chartron, Justin; VanderVelde, David; Rao, Meera; Clemons, William
Citation: Chartron, Justin; Vandervelde, David; Rao, Meera; Clemons, William. "The Get5 carboxyl terminal domain is a novel dimerization motif that tethers an extended Get4/Get5 complex." J. Biol. Chem. 287, 8310-8317 (2012).
Assembly members:
Get5, polymer, 75 residues, 5285.887 Da.
Natural source: Common Name: Aspergillus fumigatus Taxonomy ID: 746128 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Aspergillus fumigatus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Get5: SVDVAVSAGAGERASAEQKE
SYEPPKPAVGPSGESVVATE
AFWDDLQGFLEQRLKDYDEA
NKLRVLFKEAWRSSF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 321 |
| 15N chemical shifts | 75 |
| 1H chemical shifts | 436 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Get5, chain 1 | 1 |
| 2 | Get5, chain 2 | 1 |
Entities:
Entity 1, Get5, chain 1 75 residues - 5285.887 Da.
| 1 | SER | VAL | ASP | VAL | ALA | VAL | SER | ALA | GLY | ALA | ||||
| 2 | GLY | GLU | ARG | ALA | SER | ALA | GLU | GLN | LYS | GLU | ||||
| 3 | SER | TYR | GLU | PRO | PRO | LYS | PRO | ALA | VAL | GLY | ||||
| 4 | PRO | SER | GLY | GLU | SER | VAL | VAL | ALA | THR | GLU | ||||
| 5 | ALA | PHE | TRP | ASP | ASP | LEU | GLN | GLY | PHE | LEU | ||||
| 6 | GLU | GLN | ARG | LEU | LYS | ASP | TYR | ASP | GLU | ALA | ||||
| 7 | ASN | LYS | LEU | ARG | VAL | LEU | PHE | LYS | GLU | ALA | ||||
| 8 | TRP | ARG | SER | SER | PHE |
Samples:
sample_1: Get5, [U-100% 13C; U-100% 15N], 3.5 mM; sodium phosphate 20 mM; sodium azide 0.02%; H2O 90%; D2O 10%
sample_3: Get5, [U-100% 15N], 2.5 mM; sodium phosphate 20 mM; sodium azide 0.02%; polyacrylamide 5%; H2O 90%; D2O 10%
sample_2: Get5, [U-100% 15N], 2.5 mM; sodium phosphate 20 mM; sodium azide 0.02%; H2O 90%; D2O 10%
sample_4: Get5 4 mM; Get5, [U-100% 13C; U-100% 15N], 2 mM; sodium phosphate 20 mM; sodium azide 0.02%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 50 mM; pH: 6.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | anisotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_4 | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection
TOPSPIN, Bruker Biospin - processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Analysis, CCPN - data analysis
TALOS, Cornilescu, Delaglio and Bax - data analysis
PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment
ARIA v2.3, Linge, O, . - structure solution
REDCAT, Prestegard - data analysis
CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts